CID 5662

Vesamicol

Structural Information

Molecular Formula

C₁₇H₂₅NO

SMILES

C1CCC(C(C1)N2CCC(CC2)C3=CC=CC=C3)O

InChI

InChI=1S/C17H25NO/c19-17-9-5-4-8-16(17)18-12-10-15(11-13-18)14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2

InChIKey

YSSBJODGIYRAMI-UHFFFAOYSA-N

Compound name

2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 289
References: 503
Patents: 259.1936 Da
Monoisotopic Mass: 3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	260.200876	164.0
[M+Na]+	282.182818	165.7
[M-H]-	258.186324	168.9
[M+NH4]+	277.227423	177.7
[M+K]+	298.156758	161.1
[M+H-H2O]+	242.190860	154.6
[M+HCOO]-	304.191801	177.3
[M+CH3COO]-	318.207451	172.6
[M+Na-2H]-	280.168266	164.8
[M]+	259.19305142	153.6
[M]-	259.19414858	153.6

Literature stripe

literature stripe

Patent stripe

patents stripe